[(4R,5R)-5-[fluoro(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol

C31H29FO3 — CID 101050002

IUPAC[(4R,5R)-5-[fluoro(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol
SMILESCC1(C)O[C@@H](C(O)(c2ccccc2)c2ccccc2)[C@H](C(F)(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C31H29FO3/c1-29(2)34-27(30(32,23-15-7-3-8-16-23)24-17-9-4-10-18-24)28(35-29)31(33,25-19-11-5-12-20-25)26-21-13-6-14-22-26/h3-22,27-28,33H,1-2H3/t27-,28-/m1/s1
InChIKeyXHIPPPRSQOOGLY-VSGBNLITSA-N
MW468.57 g/mol
LogP6.36
Rot. Bonds6

About [(4R,5R)-5-[fluoro(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol

[(4R,5R)-5-[fluoro(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol (PubChem CID 101050002) has the molecular formula C31H29FO3 and a molecular weight of 468.57 g/mol. Its IUPAC name is [(4R,5R)-5-[fluoro(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol.

Molecular Properties

Compound Name[(4R,5R)-5-[fluoro(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol
PubChem CID101050002
Molecular FormulaC31H29FO3
Molecular Weight468.57 g/mol
Exact Mass468.21
IUPAC Name[(4R,5R)-5-[fluoro(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol
SMILESCC1(C)O[C@@H](C(O)(c2ccccc2)c2ccccc2)[C@H](C(F)(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C31H29FO3/c1-29(2)34-27(30(32,23-15-7-3-8-16-23)24-17-9-4-10-18-24)28(35-29)31(33,25-19-11-5-12-20-25)26-21-13-6-14-22-26/h3-22,27-28,33H,1-2H3/t27-,28-/m1/s1
InChIKeyXHIPPPRSQOOGLY-VSGBNLITSA-N
XLogP6.36
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.57
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-[Hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol
CID 571026
[(5S)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol
CID 24761793
(S,S)-Taddol
CID 9852051
((4R,5R)-2,2-Dimethyl-1,3-dioxolane-4,5-diyl)bis(diphenylmethanol)
CID 2725026
alpha-(1,1-Diethoxyethyl)-alpha-phenylbenzenemethanol
CID 101228
[(4R,5R)-5-[hydroxy-bis(3,4,5-trifluorophenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-bis(3,4,5-trifluorophenyl)methanol
CID 23900018
8-(4-Fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 15232681
(4r,5r)-2,2-Dimethyl-alpha,alpha,alpha',alpha'-tetrakis(3,5-bis-(trifluoromethyl)-phenyl)-1,3-dioxolan-4,5-dimethanol
CID 24011622
(+)-4,5-Bis[hydroxy(diphenyl)methyl]-2-methyl-2-phenyl-1,3-dioxolane
CID 10580038
[(4r,5r)-2,2-Dimethyl-alpha,alpha,alpha',alpha'-tetra(perfluorophenyl)-1,3-dioxolane-4,5-dimethanol]
CID 18646906
((4R,5R)-2-Phenyl-1,3-dioxolane-4,5-diyl)bis(diphenylmethanol)
CID 9497741
(2S,3S)-1,4-Dioxaspiro[4.5]decane-2,3-diylbis(diphenylmethanol)
CID 10886559

Frequently Asked Questions

What is the IUPAC name of [(4R,5R)-5-[fluoro(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol?
The IUPAC name of [(4R,5R)-5-[fluoro(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol (CID 101050002) is [(4R,5R)-5-[fluoro(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol.
What is the SMILES notation for [(4R,5R)-5-[fluoro(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol?
The canonical SMILES for [(4R,5R)-5-[fluoro(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol is CC1(C)O[C@@H](C(O)(c2ccccc2)c2ccccc2)[C@H](C(F)(c2ccccc2)c2ccccc2)O1.
What is the InChIKey of [(4R,5R)-5-[fluoro(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol?
The InChIKey is XHIPPPRSQOOGLY-VSGBNLITSA-N. The full InChI is InChI=1S/C31H29FO3/c1-29(2)34-27(30(32,23-15-7-3-8-16-23)24-17-9-4-10-18-24)28(35-29)31(33,25-19-11-5-12-20-25)26-21-13-6-14-22-26/h3-22,27-28,33H,1-2H3/t27-,28-/m1/s1.
What are the key properties of [(4R,5R)-5-[fluoro(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol?
[(4R,5R)-5-[fluoro(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol has a molecular weight of 468.57 g/mol, XLogP of 6.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5R)-5-[fluoro(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol is sourced from PubChem (CID 101050002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).